2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid

C15H18N2O4 — CID 60941507

IUPAC2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C15H18N2O4/c1-3-16-13(18)9-5-4-8(2)12(6-9)17-14(19)10-7-11(10)15(20)21/h4-6,10-11H,3,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyGIPIDASLLOVDTL-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.40
Rot. Bonds5

About 2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60941507) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60941507
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C15H18N2O4/c1-3-16-13(18)9-5-4-8(2)12(6-9)17-14(19)10-7-11(10)15(20)21/h4-6,10-11H,3,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyGIPIDASLLOVDTL-UHFFFAOYSA-N
XLogP1.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,3R,4R)-3-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98449078
4-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
CID 66240837
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
(1R,6S)-6-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599011
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43734886
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
3-[[(1S,6S)-6-carboxycyclohex-3-ene-1-carbonyl]amino]-4-methylbenzoic acid
CID 747110
3-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]-4-methylbenzoic acid
CID 874638
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60941507) is 2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid is CCNC(=O)c1ccc(C)c(NC(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GIPIDASLLOVDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-16-13(18)9-5-4-8(2)12(6-9)17-14(19)10-7-11(10)15(20)21/h4-6,10-11H,3,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60941507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).